ethyl 4-[2-oxidanylidene-2-(3-phenylmethoxypropylamino)ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-(3-phenylmethoxypropylamino)ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(3-benzyloxypropylamino)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(3-phenylmethoxypropylamino)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(3-benzoxypropylamino)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H30N3O4+ MolecularWeight: 364.4592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCCOCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCCOCC2=CC=CC=C2

InChI

InChI=1S/C19H29N3O4/c1-2-26-19(24)22-12-10-21(11-13-22)15-18(23)20-9-6-14-25-16-17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3,(H,20,23)/p+1